General Information of the Compound
| Compound ID |
CP0540727
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| Compound Name |
N-[[2-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)propanamide
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| Structure |
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| Formula |
C23H21ClF3N3O
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| Molecular Weight |
447.888
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| Canonical SMILES |
CC(C(=O)NCc1cc(nn1-c1ccc(Cl)cc1)C(F)(F)F)c1ccc2CCCc2c1
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| InChI |
InChI=1S/C23H21ClF3N3O/c1-14(16-6-5-15-3-2-4-17(15)11-16)22(31)28-13-20-12-21(23(25,26)27)29-30(20)19-9-7-18(24)8-10-19/h5-12,14H,2-4,13H2,1H3,(H,28,31)
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| InChIKey |
XYEDEWXSKIMIKE-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound